1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]isonipecotic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C15H18BrNO4/c16-12-8-14-13(20-5-6-21-14)7-11(12)9-17-3-1-10(2-4-17)15(18)19/h7-8,10H,1-6,9H2,(H,18,19)